硫氰酸苯酯
TL;DR: 硫氰酸苯酯 (CAS 5285-87-0) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸苯酯
phenyl thiocyanate
Also Known As: PHENYL THIOCYANATE, phenylthiocyanate, Phenylrhodanid, (phenylsulfanyl)formonitrile, Thiocyanatobenzene
| Molecular Formula | C7H5NS |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.01427 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 5285-87-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC#N |
| InChIKey | YXCDJKQYFBEAOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫氰酸苯酯 (CAS 5285-87-0), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: phenyl thiocyanate.
Chemical Property Profile of 硫氰酸苯酯
Property Insights of 硫氰酸苯酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸苯酯. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸苯酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫氰酸苯酯?
The CAS number of 硫氰酸苯酯 is 5285-87-0.
What is the molecular formula of 硫氰酸苯酯?
The molecular formula of 硫氰酸苯酯 is C7H5NS.
What is the molecular weight of 硫氰酸苯酯?
The molecular weight of 硫氰酸苯酯 is 135.01 g/mol.
Where can I buy 硫氰酸苯酯?
You can request a quote for 硫氰酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.